BMRB Entry 18156

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PDB ID: 2lna
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18156
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Nicholas Rego and David Koes
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Solution NMR Structure of the mitochondrial inner membrane domain (residues 164-251), FtsH_ext, from the paraplegin-like protein AFGL32 from Homo sapiens, Northeast Structural Genomics Consortium Target HR6741A

Deposition date:

2011-12-20

Original release date:

2012-02-06

Authors:

Ramelot, Theresa; Yang, Yunhuang; Lee, Hsiau-Wei; Janua, Haleema; Kohan, Eitan; Shastry, Ritu; Acton, Thomas; Xiao, Rong; Everett, John; Prestegard, James; Montelione, Gaetano; Kennedy, Michael

Citation:

Citation: Ramelot, Theresa; Yang, Yunhuang; Lee, Hsiau-Wei; Janua, Haleema; Kohan, Eitan; Shastry, Ritu; Acton, Thomas; Xiao, Rong; Everett, John; Prestegard, James; Montelione, Gaetano; Kennedy, Michael. "Northeast Structural Genomics Consortium Target HR6741A" To be published ., .-..

Assembly members:

Assembly members:
HR6741A, polymer, 99 residues, 11999.1 Da.

Natural source:

Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET15_NESG

Entity Sequences (FASTA):

Entity Sequences (FASTA):
HR6741A: MGHHHHHHSHMKRSGREITW KDFVNNYLSKGVVDRLEVVN KRFVRVTFTPGKTPVDGQYV WFNIGSVDTFERNLETLQQE LGIEGENRVPVVYIAESDG

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	420
15N chemical shifts	101
1H chemical shifts	657

Time Domain Data

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	HR6741A	1

Entities:

Entity 1, HR6741A 99 residues - 11999.1 Da.

1

MET

GLY

HIS

SER

HIS

2

MET

LYS

ARG

SER

GLY

ARG

GLU

ILE

THR

TRP

3

LYS

ASP

PHE

VAL

ASN

TYR

LEU

SER

LYS

4

GLY

VAL

ASP

ARG

LEU

GLU

VAL

ASN

5

LYS

ARG

PHE

VAL

ARG

VAL

THR

PHE

THR

PRO

6

GLY

LYS

THR

PRO

VAL

ASP

GLY

GLN

TYR

VAL

7

TRP

PHE

ASN

ILE

GLY

SER

VAL

ASP

THR

PHE

8

GLU

ARG

ASN

LEU

GLU

THR

LEU

GLN

GLU

9

LEU

GLY

ILE

GLU

GLY

GLU

ASN

ARG

VAL

PRO

10

VAL

TYR

ILE

ALA

GLU

SER

ASP

GLY

Samples:

HR6741.001: HR6741A, [U-100% 13C; U-100% 15N], 0.7 mM; sodium chloride 200 mM; MES 20 mM; calcium chloride 5 mM; DTT 10 mM; DSS 10 uM; sodium azide 0.02%; H2O 90%; D2O 10%

HR6741.002: HR6741A, NC5, 1.0 mM; sodium chloride 200 mM; MES 20 mM; calcium chloride 5 mM; DTT 10 mM; DSS 10 uM; sodium azide 0.02%; H2O 90%; D2O 10%

HR6741.001_D2O: HR6741A, [U-100% 13C; U-100% 15N], 0.7 mM; sodium chloride 200 mM; MES 20 mM; calcium chloride 5 mM; DTT 10 mM; DSS 10 uM; sodium azide 0.02%; D2O 100%

sample_conditions_1: pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	HR6741.001	isotropic	sample_conditions_1
2D 1H-13C HSQC	HR6741.001	isotropic	sample_conditions_1
3D HNCO	HR6741.001	isotropic	sample_conditions_1
3D CBCA(CO)NH	HR6741.001	isotropic	sample_conditions_1
3D HNCACB	HR6741.001	isotropic	sample_conditions_1
3D 1H-13C arom NOESY	HR6741.001	isotropic	sample_conditions_1
3D 1H-13C NOESYaliph	HR6741.001	isotropic	sample_conditions_1
3D 1H-15N NOESY	HR6741.001	isotropic	sample_conditions_1
2D 1H-13C HSQC aliphatic	HR6741.002	isotropic	sample_conditions_1
2D 1H-15N hetNOE	HR6741.002	isotropic	sample_conditions_1
3D HN(CO)CA	HR6741.001	isotropic	sample_conditions_1
3D HCCH-TOCSY	HR6741.001	isotropic	sample_conditions_1
3D HCCH-COSY	HR6741.001	isotropic	sample_conditions_1
3D H(CCO)NH	HR6741.001	isotropic	sample_conditions_1
3D C(CO)NH	HR6741.001	isotropic	sample_conditions_1
3D HBHA(CO)NH	HR6741.001	isotropic	sample_conditions_1
4D CC-HMQC-NOESY-HMQC	HR6741.001_D2O	isotropic	sample_conditions_1
2D 1H-15N HSQC	HR6741.001_D2O	isotropic	sample_conditions_1
3D CCH-TOCSY	HR6741.001_D2O	isotropic	sample_conditions_1

Software:

CNS v1.3, Brunger, Adams, Clore, Gros, Nilges and Read - refinement,structure solution,geometry optimization

CYANA v3.0, Guntert, Mumenthaler and Wuthrich - refinement,geometry optimization,structure solution

AutoStruct v2.1, Huang, Tejero, Powers and Montelione - data analysis,refinement

NMRPipe v2008 linux9, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

TOPSPIN v2.1.4 and 3.1, Bruker Biospin - collection

VNMRJ, Varian - collection

PINE, Bahrami, Markley, Assadi, and Eghbalnia - chemical shift assignment

SPARKY v3.113, Goddard - data analysis

TALOS+ v1.2009.0721.18, Shen, Cornilescu, Delaglio and Bax - geometry optimization

PALES v2000, PALES (Zweckstetter, Bax) - geometry optimization

PSVS v1.4, Bhattacharya, Montelione - structure validation

X-PLOR NIH v2.25, Schwieters, Kuszewski, Tjandra and Clore - structure determination

NMR spectrometers:

Bruker AvanceIII 850 MHz
Varian INOVA 600 MHz
Bruker AvanceIII 600 MHz

PDB	2LNA
DBJ	BAE29204 BAE30959 BAE31449
EMBL	CAB48398
GB	AAH24282 AAH36999 AAH43056 AAH65016 AAI05323
REF	NP_001039676 NP_001128336 NP_006787 NP_081406 XP_001094146
SP	Q2KJI7 Q8JZQ2 Q9Y4W6
TPG	DAA15802
AlphaFold	Q2KJI7 Q8JZQ2 Q9Y4W6